NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4339 8.3344 117.0993 57.7547 64.3701 172.8021 -1 N 4.7382 7.9955 119.3231 52.1201 40.8564 174.8389 0 A 4.1909 8.2481 129.5771 51.7822 19.8513 176.9723 0 N 4.6109 8.4081 124.4772 52.3822 39.6513 174.3723 3 I 3.8843 8.1863 129.5780 64.4144 37.2959 178.1470 4 Q 3.3888 7.9256 119.6935 58.9410 28.9015 177.9345 5 A 3.9244 8.1082 121.3408 54.8691 18.4197 179.1092 6 L 3.8419 7.7843 118.2972 58.4025 42.2512 178.9778 7 L 3.8856 8.0020 119.1104 57.8201 41.4266 179.5816 8 S 4.0791 8.1869 115.2029 61.7496 62.8073 176.4483 9 E 3.9421 8.3607 121.3022 59.7195 29.2603 179.8776 10 K 4.2569 8.1440 119.6029 58.8278 32.0081 179.7465 11 V 3.6033 8.2577 119.1449 65.7130 31.4310 177.9483 12 S 4.0560 8.3798 113.3676 61.6119 61.9239 176.1418 13 Q 3.9715 8.2000 120.3779 59.0974 28.4674 178.9571 14 A 4.1003 8.0526 121.6632 54.9632 18.2873 179.7116 15 L 3.9441 8.2505 117.9916 57.9993 41.6023 179.8060 16 I 3.9437 8.0820 120.8843 63.8014 36.8185 178.2960 17 A 3.8710 8.0864 120.7560 54.9115 18.2602 178.7770 18 A 4.2639 7.5166 116.3420 52.3355 18.7147 177.8999 19 G 3.9463 7.9513 104.7270 44.9993 0.0000 174.7343 20 A 4.1434 8.4363 124.0649 50.9892 19.1221 175.6909 21 P 4.2581 0.0000 0.0000 62.5772 31.9923 177.7886 22 A 4.0641 8.5849 123.6725 54.6474 18.4653 177.9818 23 D 4.9242 7.7829 114.5207 53.1814 40.0832 176.5641 24 C 4.2474 7.6031 114.1364 58.9293 30.0865 172.4213 25 E 4.5355 8.4077 122.1676 53.6305 30.4164 174.9648 26 P 4.2469 0.0000 0.0000 63.9399 32.3170 176.0818 27 Q 3.4949 8.2275 117.3298 56.8514 25.9141 173.5333 28 V 4.5404 7.5640 116.5390 62.9960 32.6715 175.9733 29 R 4.9275 9.1246 125.9182 53.9180 35.0058 174.3370 30 Q 3.8710 8.7487 122.0630 56.1616 29.4247 176.0680 31 S 4.2844 8.3280 121.4095 58.9055 62.4599 174.3792 32 A 4.1283 9.0330 131.5603 55.0619 18.6170 178.8784 33 K 4.6685 7.9645 117.4945 53.0255 36.0696 180.4527 34 V 3.6231 8.3760 117.9763 63.9987 31.5735 179.0907 35 Q 4.1941 7.7095 116.1815 58.1373 28.5346 176.5228 36 F 4.9373 7.8111 117.6298 57.3182 39.5361 177.6618 37 G 2.5206 7.0453 109.0308 44.8359 0.0000 173.3594 38 D 4.4528 8.2965 117.0561 55.8713 42.7326 176.6352 39 Y 5.1828 7.7362 113.7618 56.1531 42.6901 174.5351 40 Q 5.1892 9.2846 120.4722 54.1383 32.7354 174.5009 41 A 4.8765 9.1668 125.8755 50.9433 20.2325 176.9242 42 N 4.9224 8.9071 119.1952 53.4711 39.2365 176.1185 43 G 3.9988 8.1854 107.4279 44.9055 0.0000 176.4089 44 V 3.4924 7.3967 119.0347 62.9479 31.2304 177.6439 *46 A 4.2228 8.1793 122.5559 51.7419 20.5177 180.0224 47 V 3.5172 7.5416 114.0523 66.1141 31.3156 177.9802 48 A 3.9388 8.0582 119.5258 54.9915 18.4217 179.2119 49 K 3.9609 7.9262 117.4494 59.6821 32.1901 178.5409 50 K 3.8726 7.6922 118.3522 59.4476 32.1389 177.7071 51 L 4.5064 8.1090 116.2425 53.1898 42.7663 176.5710 52 G 3.6598 7.9155 108.4105 45.6305 0.0000 172.1036 *54 A 4.0800 7.7821 124.5966 51.2133 20.7452 175.2653 55 P 4.2039 0.0000 0.0000 65.9455 31.4549 179.1203 56 R 3.9274 7.9021 117.2876 58.5491 30.1575 178.6013 57 Q 3.8749 7.9150 119.3109 58.9779 29.1556 177.5113 58 L 3.8951 7.8485 121.1511 58.1197 42.1366 178.4948 59 A 3.9789 8.0715 120.6881 55.5678 18.1711 179.3357 60 E 3.9435 8.0914 116.6705 59.8235 29.2750 179.7965 61 Q 3.9827 7.7259 116.8117 58.8416 29.0644 178.5793 62 V 3.7894 8.1596 119.6502 66.0860 31.4500 178.0054 63 L 4.0384 8.0433 118.9324 57.8594 41.2261 179.6614 64 S 4.1653 7.7613 113.1543 60.8808 63.0146 175.2665 65 H 4.7480 7.8222 117.9099 54.7382 29.3045 174.3970 66 L 4.3442 7.0879 123.5106 53.5022 42.6124 175.3104 67 D 4.7487 8.5732 125.9084 52.8335 41.5142 174.4938 68 L 4.5917 8.0483 125.2492 54.0409 42.2287 176.3332 69 N 4.4255 7.7717 116.2853 55.2370 38.7790 175.4572 70 G 4.1057 9.1103 110.7532 45.2904 0.0000 173.5379 71 I 3.5532 7.6451 117.1787 61.9891 39.2323 174.8630 72 A 5.1267 7.9205 121.8509 50.2060 20.6898 176.4020 73 N 4.6312 9.0469 121.0186 55.8893 39.4635 175.8814 74 K 4.5552 7.9099 118.8173 54.9938 36.0041 174.8372 75 V 4.9814 8.5261 126.4380 61.3913 33.7849 174.1696 76 E 4.9140 9.6023 127.7236 54.6202 33.2711 175.0653 77 I 4.9225 8.4294 123.1591 60.1993 38.7032 175.0117 78 A 4.7650 9.0903 128.1567 49.8106 22.6610 177.4699 79 G 3.7758 8.9769 108.9752 46.6716 0.0000 173.1268 80 P 4.5029 0.0000 0.0000 62.6625 31.3889 176.4460 81 G 3.8523 8.1207 102.4511 46.5204 0.0000 173.7894 82 F 4.3763 8.0984 118.2479 57.1796 40.4569 174.6292 83 I 4.8642 8.6947 123.5494 59.9268 39.3113 174.2753 84 N 5.2947 9.7926 126.5229 51.8126 40.5468 174.1999 85 I 5.0178 8.6140 125.0234 59.5854 40.1887 174.5573 86 F 5.0915 9.4714 126.8703 55.4809 40.7681 175.4891 87 L 4.6043 9.0815 124.9637 54.3717 42.6354 176.8499 88 D 4.5314 9.3448 123.5703 53.8367 41.6736 175.4119 89 P 4.3594 0.0000 0.0000 66.0870 31.1892 178.3524 90 A 4.0428 8.7411 120.8696 54.5988 18.1601 179.3568 91 F 3.9748 8.3144 118.8830 61.3213 39.5419 176.6797 92 L 3.8081 8.0836 119.6809 58.2861 41.8236 178.7643 93 A 3.9409 8.0355 120.4302 55.1280 18.2909 179.0835 94 D 4.1330 7.9839 116.3927 57.5109 41.3368 177.8137 95 N 4.0620 7.8290 117.7926 56.7728 38.8275 176.9505 96 V 3.5683 8.0200 119.8399 65.9822 31.6021 177.7677 97 N 4.3427 8.4965 116.7339 56.2542 38.1046 177.6022 98 R 3.9935 8.2163 118.8200 59.2387 30.2571 178.6202 99 A 4.1141 7.7423 119.2896 54.8180 18.8318 178.9328 100 L 4.2842 7.9621 115.5896 54.2696 42.2024 176.7844 101 Q 4.0879 7.3279 120.9830 57.8367 29.3118 175.9958 102 S 4.2044 9.6405 120.4856 59.1995 60.6099 168.9813 103 E 4.2836 7.9572 119.6902 55.6233 30.5709 178.1682 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -2 S 8.33 4.43 0.00 3.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.00 4.74 0.00 2.73 2.72 0.00 0.00 7.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.25 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 N 8.41 4.61 0.00 2.60 2.52 0.00 0.00 6.64 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.19 3.88 1.90 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.68 0.84 0.00 0.00 4 Q 7.93 3.39 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 5 A 8.11 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.78 3.84 0.00 1.85 1.80 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.00 3.89 0.00 1.64 1.60 0.61 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.19 4.08 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.36 3.94 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 10 K 8.14 4.26 0.00 1.76 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 V 8.26 3.60 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 12 S 8.38 4.06 0.00 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.20 3.97 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 14 A 8.05 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.25 3.94 0.00 1.93 1.72 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.08 3.94 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.89 0.00 0.00 17 A 8.09 3.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.52 4.26 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.44 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.26 0.00 2.30 1.99 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 22 A 8.58 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.78 4.92 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 7.60 4.25 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.41 4.54 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 26 P 0.00 4.25 0.00 2.26 2.29 0.00 3.90 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 27 Q 8.23 3.49 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.15 0.00 0.00 0.00 0.00 0.00 2.58 2.28 0.00 28 V 7.56 4.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 29 R 9.12 4.93 0.00 1.77 1.77 0.00 3.20 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 30 Q 8.75 3.87 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 31 S 8.33 4.28 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 9.03 4.13 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.96 4.67 0.00 1.63 1.60 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 0.98 7.81 34 V 8.38 3.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 35 Q 7.71 4.19 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.47 0.00 0.00 0.00 0.00 0.00 1.20 1.87 0.00 36 F 7.81 4.94 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.05 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.30 4.45 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.74 5.18 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.28 5.19 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.21 0.00 41 A 9.17 4.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.91 4.92 0.00 2.72 3.08 0.00 0.00 6.98 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.40 3.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 *46 A 8.18 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.54 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.91 0.00 0.00 48 A 8.06 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.93 3.96 0.00 1.80 1.95 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 50 K 7.69 3.87 0.00 1.80 1.98 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 51 L 8.11 4.51 0.00 1.79 1.67 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.92 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 7.78 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.20 0.00 2.41 2.24 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 56 R 7.90 3.93 0.00 1.86 2.01 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 57 Q 7.91 3.87 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 58 L 7.85 3.90 0.00 1.79 1.77 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.07 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.09 3.94 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 61 Q 7.73 3.98 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 62 V 8.16 3.79 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.98 0.00 0.00 63 L 8.04 4.04 0.00 2.04 1.71 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.76 4.17 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.82 4.75 0.00 3.30 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.09 4.34 0.00 1.72 1.58 0.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.57 4.75 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.05 4.59 0.00 1.70 1.55 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.77 4.43 0.00 2.80 2.77 0.00 0.00 7.01 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.65 3.55 1.72 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.54 0.25 0.00 0.00 72 A 7.92 5.13 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.05 4.63 0.00 2.69 2.91 0.00 0.00 6.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.91 4.56 0.00 1.63 1.30 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.31 7.81 75 V 8.53 4.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 76 E 9.60 4.91 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 77 I 8.43 4.92 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.94 0.00 0.00 78 A 9.09 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.50 0.00 2.01 2.06 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.88 0.00 81 G 8.12 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.10 4.38 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.69 4.86 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.97 0.00 0.00 84 N 9.79 5.29 0.00 2.93 2.95 0.00 0.00 6.39 5.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.61 5.02 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.98 0.00 0.00 86 F 9.47 5.09 0.00 2.90 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.08 4.60 0.00 1.68 1.79 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.34 4.53 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.36 0.00 2.34 2.35 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 90 A 8.74 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.31 3.97 0.00 3.46 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.08 3.81 0.00 1.95 1.86 0.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.04 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.98 4.13 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.83 4.06 0.00 2.20 2.63 0.00 0.00 6.93 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.02 3.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 97 N 8.50 4.34 0.00 2.83 2.82 0.00 0.00 7.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.22 3.99 0.00 1.84 1.96 0.00 3.10 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 99 A 7.74 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.96 4.28 0.00 1.70 1.70 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.33 4.09 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.19 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 102 S 9.64 4.20 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.96 4.28 0.00 2.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.